USER MOD reduce.3.24.130724 H: found=0, std=0, add=438, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 430 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 34 CYS SG : rot 133:sc= 0.763 USER MOD Set 1.2: A 37 CYS SG : rot -38:sc= -0.713! USER MOD Set 1.3: A 58 CYS SG : rot -131:sc= 0.932 USER MOD Set 1.4: A 61 CYS SG : rot 148:sc= 0.27 USER MOD Set 2.1: A 49 CYS SG : rot -156:sc= -2.5 USER MOD Set 2.2: A 52 CYS SG : rot 47:sc= 0.0378 USER MOD Set 2.3: A 55 TYR OH : rot 180:sc=-0.00811 USER MOD Set 2.4: A 67 HIS :FLIP+bothHN:sc= -8.52! C(o=-13!,f=-11!) USER MOD Set 2.5: A 69 SER OG : rot 180:sc= 0 USER MOD Set 2.6: A 70 HIS : no HD1:sc= 0.041 K(o=-11,f=-12) USER MOD Set 3.1: A 47 TYR OH : rot 180:sc= 0 USER MOD Set 3.2: A 59 GLN : amide:sc= 1.18 K(o=1.2,f=-0.057) USER MOD Single : A 35 ASN :FLIP amide:sc= -3.66! C(o=-5.3!,f=-3.7!) USER MOD Single : A 36 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 45 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0225) USER MOD Single : A 46 CYS SG : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0227) USER MOD Single : A 50 THR OG1 : rot -50:sc= 0.372 USER MOD Single : A 56 HIS : no HE2:sc= -4.89 K(o=-4.9,f=-8.3!) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 CYS SG : rot 180:sc= 0 USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 LYS NZ :NH3+ 164:sc= -0.0102 (180deg=-0.123) USER MOD Single : A 79 ASN : amide:sc= -0.0836 K(o=-0.084,f=-2.1!) USER MOD Single : A 80 GLN : amide:sc= -2.16 K(o=-2.2,f=-4.6!) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 SER OG : rot 37:sc= 0.56 USER MOD ----------------------------------------------------------------- ATOM 426 N LEU A 30 4.791 11.046 9.628 1.00 0.00 N ATOM 427 CA LEU A 30 5.979 10.203 9.556 1.00 0.00 C ATOM 428 C LEU A 30 5.615 8.732 9.735 1.00 0.00 C ATOM 429 O LEU A 30 6.130 7.865 9.030 1.00 0.00 O ATOM 430 CB LEU A 30 6.992 10.622 10.623 1.00 0.00 C ATOM 431 CG LEU A 30 7.748 11.924 10.356 1.00 0.00 C ATOM 432 CD1 LEU A 30 8.442 12.407 11.620 1.00 0.00 C ATOM 433 CD2 LEU A 30 8.756 11.734 9.232 1.00 0.00 C ATOM 0 HA LEU A 30 6.425 10.331 8.570 1.00 0.00 H new ATOM 0 HB2 LEU A 30 6.469 10.718 11.574 1.00 0.00 H new ATOM 0 HB3 LEU A 30 7.720 9.819 10.739 1.00 0.00 H new ATOM 0 HG LEU A 30 7.029 12.683 10.048 1.00 0.00 H new ATOM 0 HD11 LEU A 30 8.975 13.335 11.411 1.00 0.00 H new ATOM 0 HD12 LEU A 30 7.699 12.583 12.398 1.00 0.00 H new ATOM 0 HD13 LEU A 30 9.150 11.650 11.958 1.00 0.00 H new ATOM 0 HD21 LEU A 30 9.285 12.671 9.055 1.00 0.00 H new ATOM 0 HD22 LEU A 30 9.471 10.960 9.512 1.00 0.00 H new ATOM 0 HD23 LEU A 30 8.235 11.435 8.323 1.00 0.00 H new ATOM 445 N GLY A 31 4.721 8.459 10.681 1.00 0.00 N ATOM 446 CA GLY A 31 4.302 7.093 10.933 1.00 0.00 C ATOM 447 C GLY A 31 5.401 6.088 10.652 1.00 0.00 C ATOM 448 O GLY A 31 6.397 6.030 11.373 1.00 0.00 O ATOM 0 H GLY A 31 4.280 9.160 11.277 1.00 0.00 H new ATOM 0 HA2 GLY A 31 3.985 6.999 11.972 1.00 0.00 H new ATOM 0 HA3 GLY A 31 3.436 6.862 10.313 1.00 0.00 H new ATOM 452 N ILE A 32 5.219 5.293 9.602 1.00 0.00 N ATOM 453 CA ILE A 32 6.204 4.285 9.229 1.00 0.00 C ATOM 454 C ILE A 32 6.330 4.176 7.713 1.00 0.00 C ATOM 455 O ILE A 32 5.343 4.209 6.979 1.00 0.00 O ATOM 456 CB ILE A 32 5.840 2.903 9.804 1.00 0.00 C ATOM 457 CG1 ILE A 32 5.781 2.961 11.331 1.00 0.00 C ATOM 458 CG2 ILE A 32 6.847 1.858 9.346 1.00 0.00 C ATOM 459 CD1 ILE A 32 4.809 1.972 11.936 1.00 0.00 C ATOM 0 H ILE A 32 4.400 5.328 8.996 1.00 0.00 H new ATOM 0 HA ILE A 32 7.158 4.604 9.649 1.00 0.00 H new ATOM 0 HB ILE A 32 4.856 2.619 9.433 1.00 0.00 H new ATOM 0 HG12 ILE A 32 6.777 2.772 11.732 1.00 0.00 H new ATOM 0 HG13 ILE A 32 5.500 3.968 11.638 1.00 0.00 H new ATOM 0 HG21 ILE A 32 6.577 0.887 9.760 1.00 0.00 H new ATOM 0 HG22 ILE A 32 6.844 1.802 8.257 1.00 0.00 H new ATOM 0 HG23 ILE A 32 7.843 2.136 9.692 1.00 0.00 H new ATOM 0 HD11 ILE A 32 4.820 2.069 13.022 1.00 0.00 H new ATOM 0 HD12 ILE A 32 3.805 2.174 11.563 1.00 0.00 H new ATOM 0 HD13 ILE A 32 5.101 0.959 11.660 1.00 0.00 H new ATOM 471 N PRO A 33 7.575 4.040 7.232 1.00 0.00 N ATOM 472 CA PRO A 33 7.861 3.920 5.799 1.00 0.00 C ATOM 473 C PRO A 33 7.388 2.590 5.223 1.00 0.00 C ATOM 474 O PRO A 33 7.081 1.655 5.963 1.00 0.00 O ATOM 475 CB PRO A 33 9.387 4.019 5.733 1.00 0.00 C ATOM 476 CG PRO A 33 9.855 3.560 7.070 1.00 0.00 C ATOM 477 CD PRO A 33 8.799 3.992 8.049 1.00 0.00 C ATOM 0 HA PRO A 33 7.345 4.682 5.215 1.00 0.00 H new ATOM 0 HB2 PRO A 33 9.790 3.394 4.936 1.00 0.00 H new ATOM 0 HB3 PRO A 33 9.709 5.040 5.530 1.00 0.00 H new ATOM 0 HG2 PRO A 33 9.984 2.478 7.088 1.00 0.00 H new ATOM 0 HG3 PRO A 33 10.821 4.001 7.318 1.00 0.00 H new ATOM 0 HD2 PRO A 33 8.704 3.287 8.874 1.00 0.00 H new ATOM 0 HD3 PRO A 33 9.029 4.964 8.485 1.00 0.00 H new ATOM 485 N CYS A 34 7.331 2.511 3.898 1.00 0.00 N ATOM 486 CA CYS A 34 6.895 1.296 3.221 1.00 0.00 C ATOM 487 C CYS A 34 7.865 0.147 3.488 1.00 0.00 C ATOM 488 O CYS A 34 9.037 0.368 3.788 1.00 0.00 O ATOM 489 CB CYS A 34 6.778 1.539 1.715 1.00 0.00 C ATOM 490 SG CYS A 34 5.904 0.219 0.815 1.00 0.00 S ATOM 0 H CYS A 34 7.582 3.275 3.271 1.00 0.00 H new ATOM 0 HA CYS A 34 5.916 1.022 3.615 1.00 0.00 H new ATOM 0 HB2 CYS A 34 6.258 2.483 1.549 1.00 0.00 H new ATOM 0 HB3 CYS A 34 7.779 1.648 1.297 1.00 0.00 H new ATOM 0 HG CYS A 34 5.021 0.747 0.020 1.00 0.00 H new ATOM 495 N ASN A 35 7.365 -1.079 3.375 1.00 0.00 N ATOM 496 CA ASN A 35 8.186 -2.262 3.604 1.00 0.00 C ATOM 497 C ASN A 35 8.742 -2.801 2.290 1.00 0.00 C ATOM 498 O ASN A 35 9.647 -3.636 2.282 1.00 0.00 O ATOM 499 CB ASN A 35 7.369 -3.347 4.308 1.00 0.00 C ATOM 500 CG ASN A 35 8.221 -4.218 5.211 1.00 0.00 C ATOM 501 OD1 ASN A 35 8.635 -5.372 4.701 1.00 0.00 O flip ATOM 502 ND2 ASN A 35 8.503 -3.857 6.354 1.00 0.00 N flip ATOM 0 H ASN A 35 6.396 -1.279 3.126 1.00 0.00 H new ATOM 0 HA ASN A 35 9.022 -1.975 4.241 1.00 0.00 H new ATOM 0 HB2 ASN A 35 6.581 -2.879 4.898 1.00 0.00 H new ATOM 0 HB3 ASN A 35 6.880 -3.972 3.561 1.00 0.00 H new ATOM 0 HD21 ASN A 35 8.163 -2.962 6.705 1.00 0.00 H new ATOM 0 HD22 ASN A 35 9.077 -4.453 6.950 1.00 0.00 H new ATOM 509 N ASN A 36 8.195 -2.318 1.179 1.00 0.00 N ATOM 510 CA ASN A 36 8.636 -2.751 -0.142 1.00 0.00 C ATOM 511 C ASN A 36 9.517 -1.691 -0.795 1.00 0.00 C ATOM 512 O ASN A 36 10.734 -1.855 -0.897 1.00 0.00 O ATOM 513 CB ASN A 36 7.429 -3.047 -1.034 1.00 0.00 C ATOM 514 CG ASN A 36 7.709 -4.147 -2.040 1.00 0.00 C ATOM 515 OD1 ASN A 36 7.437 -5.320 -1.785 1.00 0.00 O ATOM 516 ND2 ASN A 36 8.256 -3.771 -3.190 1.00 0.00 N ATOM 0 H ASN A 36 7.445 -1.626 1.167 1.00 0.00 H new ATOM 0 HA ASN A 36 9.222 -3.662 -0.022 1.00 0.00 H new ATOM 0 HB2 ASN A 36 6.582 -3.335 -0.411 1.00 0.00 H new ATOM 0 HB3 ASN A 36 7.141 -2.139 -1.564 1.00 0.00 H new ATOM 0 HD21 ASN A 36 8.468 -4.466 -3.905 1.00 0.00 H new ATOM 0 HD22 ASN A 36 8.464 -2.787 -3.358 1.00 0.00 H new ATOM 523 N CYS A 37 8.896 -0.603 -1.237 1.00 0.00 N ATOM 524 CA CYS A 37 9.622 0.485 -1.881 1.00 0.00 C ATOM 525 C CYS A 37 10.223 1.428 -0.842 1.00 0.00 C ATOM 526 O CYS A 37 10.813 2.453 -1.184 1.00 0.00 O ATOM 527 CB CYS A 37 8.694 1.263 -2.816 1.00 0.00 C ATOM 528 SG CYS A 37 7.321 2.107 -1.967 1.00 0.00 S ATOM 0 H CYS A 37 7.890 -0.451 -1.161 1.00 0.00 H new ATOM 0 HA CYS A 37 10.434 0.051 -2.465 1.00 0.00 H new ATOM 0 HB2 CYS A 37 9.281 2.003 -3.360 1.00 0.00 H new ATOM 0 HB3 CYS A 37 8.282 0.577 -3.556 1.00 0.00 H new ATOM 0 HG CYS A 37 6.885 1.359 -0.998 1.00 0.00 H new ATOM 533 N LYS A 38 10.069 1.074 0.429 1.00 0.00 N ATOM 534 CA LYS A 38 10.596 1.886 1.520 1.00 0.00 C ATOM 535 C LYS A 38 10.347 3.369 1.264 1.00 0.00 C ATOM 536 O LYS A 38 11.131 4.220 1.681 1.00 0.00 O ATOM 537 CB LYS A 38 12.096 1.632 1.692 1.00 0.00 C ATOM 538 CG LYS A 38 12.438 0.181 1.981 1.00 0.00 C ATOM 539 CD LYS A 38 12.012 -0.225 3.382 1.00 0.00 C ATOM 540 CE LYS A 38 12.918 -1.307 3.949 1.00 0.00 C ATOM 541 NZ LYS A 38 12.284 -2.018 5.092 1.00 0.00 N ATOM 0 H LYS A 38 9.583 0.229 0.730 1.00 0.00 H new ATOM 0 HA LYS A 38 10.077 1.602 2.436 1.00 0.00 H new ATOM 0 HB2 LYS A 38 12.615 1.945 0.786 1.00 0.00 H new ATOM 0 HB3 LYS A 38 12.470 2.254 2.505 1.00 0.00 H new ATOM 0 HG2 LYS A 38 11.947 -0.462 1.250 1.00 0.00 H new ATOM 0 HG3 LYS A 38 13.512 0.030 1.868 1.00 0.00 H new ATOM 0 HD2 LYS A 38 12.031 0.647 4.036 1.00 0.00 H new ATOM 0 HD3 LYS A 38 10.983 -0.585 3.361 1.00 0.00 H new ATOM 0 HE2 LYS A 38 13.162 -2.024 3.165 1.00 0.00 H new ATOM 0 HE3 LYS A 38 13.857 -0.860 4.275 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 12.933 -2.747 5.450 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 12.075 -1.338 5.851 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 11.401 -2.466 4.775 1.00 0.00 H new ATOM 555 N GLN A 39 9.249 3.669 0.577 1.00 0.00 N ATOM 556 CA GLN A 39 8.897 5.050 0.267 1.00 0.00 C ATOM 557 C GLN A 39 8.683 5.857 1.543 1.00 0.00 C ATOM 558 O GLN A 39 7.802 5.548 2.345 1.00 0.00 O ATOM 559 CB GLN A 39 7.635 5.095 -0.597 1.00 0.00 C ATOM 560 CG GLN A 39 7.156 6.505 -0.901 1.00 0.00 C ATOM 561 CD GLN A 39 6.041 6.534 -1.927 1.00 0.00 C ATOM 562 OE1 GLN A 39 6.290 6.548 -3.132 1.00 0.00 O ATOM 563 NE2 GLN A 39 4.800 6.543 -1.453 1.00 0.00 N ATOM 0 H GLN A 39 8.589 2.976 0.225 1.00 0.00 H new ATOM 0 HA GLN A 39 9.724 5.494 -0.287 1.00 0.00 H new ATOM 0 HB2 GLN A 39 7.829 4.576 -1.536 1.00 0.00 H new ATOM 0 HB3 GLN A 39 6.838 4.551 -0.090 1.00 0.00 H new ATOM 0 HG2 GLN A 39 6.809 6.973 0.020 1.00 0.00 H new ATOM 0 HG3 GLN A 39 7.995 7.099 -1.264 1.00 0.00 H new ATOM 0 HE21 GLN A 39 4.639 6.531 -0.446 1.00 0.00 H new ATOM 0 HE22 GLN A 39 4.009 6.562 -2.096 1.00 0.00 H new ATOM 572 N PHE A 40 9.496 6.892 1.726 1.00 0.00 N ATOM 573 CA PHE A 40 9.396 7.743 2.906 1.00 0.00 C ATOM 574 C PHE A 40 9.752 9.188 2.566 1.00 0.00 C ATOM 575 O PHE A 40 10.782 9.473 1.954 1.00 0.00 O ATOM 576 CB PHE A 40 10.317 7.226 4.013 1.00 0.00 C ATOM 577 CG PHE A 40 9.768 7.434 5.395 1.00 0.00 C ATOM 578 CD1 PHE A 40 8.462 7.085 5.696 1.00 0.00 C ATOM 579 CD2 PHE A 40 10.559 7.980 6.394 1.00 0.00 C ATOM 580 CE1 PHE A 40 7.953 7.275 6.967 1.00 0.00 C ATOM 581 CE2 PHE A 40 10.056 8.171 7.667 1.00 0.00 C ATOM 582 CZ PHE A 40 8.752 7.820 7.954 1.00 0.00 C ATOM 0 H PHE A 40 10.231 7.162 1.072 1.00 0.00 H new ATOM 0 HA PHE A 40 8.365 7.714 3.258 1.00 0.00 H new ATOM 0 HB2 PHE A 40 10.496 6.162 3.858 1.00 0.00 H new ATOM 0 HB3 PHE A 40 11.282 7.726 3.935 1.00 0.00 H new ATOM 0 HD1 PHE A 40 7.833 6.659 4.928 1.00 0.00 H new ATOM 0 HD2 PHE A 40 11.579 8.259 6.175 1.00 0.00 H new ATOM 0 HE1 PHE A 40 6.933 6.998 7.188 1.00 0.00 H new ATOM 0 HE2 PHE A 40 10.683 8.595 8.437 1.00 0.00 H new ATOM 0 HZ PHE A 40 8.357 7.971 8.948 1.00 0.00 H new ATOM 592 N PRO A 41 8.881 10.123 2.972 1.00 0.00 N ATOM 593 CA PRO A 41 7.652 9.796 3.702 1.00 0.00 C ATOM 594 C PRO A 41 6.629 9.083 2.823 1.00 0.00 C ATOM 595 O PRO A 41 6.786 9.013 1.604 1.00 0.00 O ATOM 596 CB PRO A 41 7.122 11.164 4.136 1.00 0.00 C ATOM 597 CG PRO A 41 7.683 12.121 3.142 1.00 0.00 C ATOM 598 CD PRO A 41 9.027 11.571 2.751 1.00 0.00 C ATOM 0 HA PRO A 41 7.840 9.114 4.531 1.00 0.00 H new ATOM 0 HB2 PRO A 41 6.032 11.185 4.134 1.00 0.00 H new ATOM 0 HB3 PRO A 41 7.444 11.410 5.148 1.00 0.00 H new ATOM 0 HG2 PRO A 41 7.030 12.210 2.274 1.00 0.00 H new ATOM 0 HG3 PRO A 41 7.779 13.118 3.571 1.00 0.00 H new ATOM 0 HD2 PRO A 41 9.267 11.797 1.712 1.00 0.00 H new ATOM 0 HD3 PRO A 41 9.826 11.992 3.361 1.00 0.00 H new ATOM 606 N ILE A 42 5.582 8.558 3.450 1.00 0.00 N ATOM 607 CA ILE A 42 4.533 7.852 2.724 1.00 0.00 C ATOM 608 C ILE A 42 3.334 8.761 2.470 1.00 0.00 C ATOM 609 O ILE A 42 2.309 8.654 3.142 1.00 0.00 O ATOM 610 CB ILE A 42 4.061 6.602 3.490 1.00 0.00 C ATOM 611 CG1 ILE A 42 5.126 5.505 3.423 1.00 0.00 C ATOM 612 CG2 ILE A 42 2.741 6.101 2.925 1.00 0.00 C ATOM 613 CD1 ILE A 42 4.687 4.198 4.046 1.00 0.00 C ATOM 0 H ILE A 42 5.437 8.608 4.458 1.00 0.00 H new ATOM 0 HA ILE A 42 4.962 7.543 1.771 1.00 0.00 H new ATOM 0 HB ILE A 42 3.907 6.871 4.535 1.00 0.00 H new ATOM 0 HG12 ILE A 42 5.391 5.330 2.380 1.00 0.00 H new ATOM 0 HG13 ILE A 42 6.027 5.854 3.927 1.00 0.00 H new ATOM 0 HG21 ILE A 42 2.421 5.217 3.477 1.00 0.00 H new ATOM 0 HG22 ILE A 42 1.985 6.881 3.019 1.00 0.00 H new ATOM 0 HG23 ILE A 42 2.869 5.845 1.873 1.00 0.00 H new ATOM 0 HD11 ILE A 42 5.491 3.467 3.962 1.00 0.00 H new ATOM 0 HD12 ILE A 42 4.450 4.358 5.098 1.00 0.00 H new ATOM 0 HD13 ILE A 42 3.803 3.826 3.527 1.00 0.00 H new ATOM 625 N GLU A 43 3.471 9.653 1.494 1.00 0.00 N ATOM 626 CA GLU A 43 2.399 10.579 1.150 1.00 0.00 C ATOM 627 C GLU A 43 1.047 9.871 1.152 1.00 0.00 C ATOM 628 O GLU A 43 0.111 10.297 1.828 1.00 0.00 O ATOM 629 CB GLU A 43 2.656 11.206 -0.222 1.00 0.00 C ATOM 630 CG GLU A 43 3.881 12.105 -0.260 1.00 0.00 C ATOM 631 CD GLU A 43 4.183 12.620 -1.653 1.00 0.00 C ATOM 632 OE1 GLU A 43 3.247 12.680 -2.479 1.00 0.00 O ATOM 633 OE2 GLU A 43 5.353 12.964 -1.919 1.00 0.00 O ATOM 0 H GLU A 43 4.314 9.754 0.928 1.00 0.00 H new ATOM 0 HA GLU A 43 2.379 11.367 1.903 1.00 0.00 H new ATOM 0 HB2 GLU A 43 2.776 10.412 -0.959 1.00 0.00 H new ATOM 0 HB3 GLU A 43 1.781 11.785 -0.517 1.00 0.00 H new ATOM 0 HG2 GLU A 43 3.728 12.951 0.411 1.00 0.00 H new ATOM 0 HG3 GLU A 43 4.743 11.554 0.114 1.00 0.00 H new ATOM 640 N GLY A 44 0.953 8.785 0.390 1.00 0.00 N ATOM 641 CA GLY A 44 -0.288 8.035 0.317 1.00 0.00 C ATOM 642 C GLY A 44 -0.698 7.461 1.659 1.00 0.00 C ATOM 643 O GLY A 44 -0.052 7.716 2.675 1.00 0.00 O ATOM 0 H GLY A 44 1.714 8.411 -0.178 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -1.080 8.685 -0.054 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -0.177 7.224 -0.403 1.00 0.00 H new ATOM 647 N LYS A 45 -1.776 6.684 1.663 1.00 0.00 N ATOM 648 CA LYS A 45 -2.273 6.072 2.890 1.00 0.00 C ATOM 649 C LYS A 45 -1.201 5.199 3.535 1.00 0.00 C ATOM 650 O LYS A 45 -0.160 4.931 2.934 1.00 0.00 O ATOM 651 CB LYS A 45 -3.519 5.234 2.597 1.00 0.00 C ATOM 652 CG LYS A 45 -4.817 6.014 2.712 1.00 0.00 C ATOM 653 CD LYS A 45 -5.366 5.976 4.129 1.00 0.00 C ATOM 654 CE LYS A 45 -6.377 7.088 4.365 1.00 0.00 C ATOM 655 NZ LYS A 45 -7.563 6.958 3.474 1.00 0.00 N ATOM 0 H LYS A 45 -2.322 6.463 0.830 1.00 0.00 H new ATOM 0 HA LYS A 45 -2.534 6.870 3.585 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -3.441 4.821 1.591 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -3.550 4.390 3.286 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -4.649 7.049 2.414 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -5.554 5.600 2.024 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -5.837 5.010 4.312 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -4.546 6.071 4.841 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -6.701 7.069 5.406 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -5.900 8.054 4.197 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -8.266 7.683 3.723 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -7.269 7.086 2.484 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -7.983 6.014 3.591 1.00 0.00 H new ATOM 669 N CYS A 46 -1.462 4.759 4.761 1.00 0.00 N ATOM 670 CA CYS A 46 -0.520 3.916 5.488 1.00 0.00 C ATOM 671 C CYS A 46 -1.153 2.575 5.845 1.00 0.00 C ATOM 672 O CYS A 46 -1.956 2.485 6.774 1.00 0.00 O ATOM 673 CB CYS A 46 -0.044 4.624 6.757 1.00 0.00 C ATOM 674 SG CYS A 46 1.296 5.807 6.484 1.00 0.00 S ATOM 0 H CYS A 46 -2.318 4.972 5.272 1.00 0.00 H new ATOM 0 HA CYS A 46 0.338 3.731 4.841 1.00 0.00 H new ATOM 0 HB2 CYS A 46 -0.888 5.145 7.208 1.00 0.00 H new ATOM 0 HB3 CYS A 46 0.288 3.875 7.475 1.00 0.00 H new ATOM 0 HG CYS A 46 1.628 6.356 7.615 1.00 0.00 H new ATOM 680 N TYR A 47 -0.789 1.537 5.101 1.00 0.00 N ATOM 681 CA TYR A 47 -1.324 0.202 5.337 1.00 0.00 C ATOM 682 C TYR A 47 -0.365 -0.628 6.184 1.00 0.00 C ATOM 683 O TYR A 47 0.846 -0.408 6.169 1.00 0.00 O ATOM 684 CB TYR A 47 -1.591 -0.506 4.007 1.00 0.00 C ATOM 685 CG TYR A 47 -2.492 0.274 3.077 1.00 0.00 C ATOM 686 CD1 TYR A 47 -2.067 1.464 2.500 1.00 0.00 C ATOM 687 CD2 TYR A 47 -3.770 -0.181 2.774 1.00 0.00 C ATOM 688 CE1 TYR A 47 -2.888 2.179 1.650 1.00 0.00 C ATOM 689 CE2 TYR A 47 -4.597 0.527 1.923 1.00 0.00 C ATOM 690 CZ TYR A 47 -4.152 1.706 1.364 1.00 0.00 C ATOM 691 OH TYR A 47 -4.972 2.415 0.517 1.00 0.00 O ATOM 0 H TYR A 47 -0.125 1.595 4.329 1.00 0.00 H new ATOM 0 HA TYR A 47 -2.263 0.306 5.881 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -0.641 -0.693 3.507 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -2.042 -1.478 4.206 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -1.077 1.837 2.720 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -4.123 -1.104 3.211 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -2.542 3.103 1.212 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -5.587 0.159 1.697 1.00 0.00 H new ATOM 0 HH TYR A 47 -5.827 1.945 0.420 1.00 0.00 H new ATOM 701 N LYS A 48 -0.916 -1.585 6.924 1.00 0.00 N ATOM 702 CA LYS A 48 -0.112 -2.451 7.778 1.00 0.00 C ATOM 703 C LYS A 48 -0.636 -3.883 7.747 1.00 0.00 C ATOM 704 O LYS A 48 -1.838 -4.118 7.874 1.00 0.00 O ATOM 705 CB LYS A 48 -0.112 -1.927 9.216 1.00 0.00 C ATOM 706 CG LYS A 48 0.445 -2.917 10.224 1.00 0.00 C ATOM 707 CD LYS A 48 0.979 -2.213 11.460 1.00 0.00 C ATOM 708 CE LYS A 48 0.851 -3.087 12.698 1.00 0.00 C ATOM 709 NZ LYS A 48 1.634 -4.348 12.571 1.00 0.00 N ATOM 0 H LYS A 48 -1.917 -1.780 6.949 1.00 0.00 H new ATOM 0 HA LYS A 48 0.909 -2.448 7.397 1.00 0.00 H new ATOM 0 HB2 LYS A 48 0.474 -1.009 9.259 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -1.132 -1.668 9.499 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -0.335 -3.621 10.514 1.00 0.00 H new ATOM 0 HG3 LYS A 48 1.243 -3.498 9.762 1.00 0.00 H new ATOM 0 HD2 LYS A 48 2.025 -1.949 11.306 1.00 0.00 H new ATOM 0 HD3 LYS A 48 0.434 -1.281 11.613 1.00 0.00 H new ATOM 0 HE2 LYS A 48 1.195 -2.532 13.571 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -0.199 -3.327 12.866 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 1.604 -4.868 13.471 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 1.225 -4.936 11.818 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 2.621 -4.121 12.335 1.00 0.00 H new ATOM 723 N CYS A 49 0.273 -4.838 7.579 1.00 0.00 N ATOM 724 CA CYS A 49 -0.097 -6.247 7.533 1.00 0.00 C ATOM 725 C CYS A 49 -0.382 -6.781 8.934 1.00 0.00 C ATOM 726 O CYS A 49 0.438 -6.644 9.842 1.00 0.00 O ATOM 727 CB CYS A 49 1.018 -7.067 6.881 1.00 0.00 C ATOM 728 SG CYS A 49 0.541 -8.777 6.471 1.00 0.00 S ATOM 0 H CYS A 49 1.272 -4.661 7.472 1.00 0.00 H new ATOM 0 HA CYS A 49 -1.004 -6.339 6.936 1.00 0.00 H new ATOM 0 HB2 CYS A 49 1.340 -6.563 5.970 1.00 0.00 H new ATOM 0 HB3 CYS A 49 1.876 -7.092 7.552 1.00 0.00 H new ATOM 0 HG CYS A 49 1.605 -9.522 6.411 1.00 0.00 H new ATOM 733 N THR A 50 -1.552 -7.390 9.102 1.00 0.00 N ATOM 734 CA THR A 50 -1.947 -7.943 10.391 1.00 0.00 C ATOM 735 C THR A 50 -1.520 -9.401 10.518 1.00 0.00 C ATOM 736 O THR A 50 -1.875 -10.080 11.481 1.00 0.00 O ATOM 737 CB THR A 50 -3.470 -7.847 10.601 1.00 0.00 C ATOM 738 OG1 THR A 50 -4.139 -8.822 9.794 1.00 0.00 O ATOM 739 CG2 THR A 50 -3.977 -6.456 10.249 1.00 0.00 C ATOM 0 H THR A 50 -2.242 -7.512 8.361 1.00 0.00 H new ATOM 0 HA THR A 50 -1.444 -7.351 11.156 1.00 0.00 H new ATOM 0 HB THR A 50 -3.683 -8.040 11.653 1.00 0.00 H new ATOM 0 HG1 THR A 50 -3.808 -8.767 8.873 1.00 0.00 H new ATOM 0 HG21 THR A 50 -5.055 -6.411 10.405 1.00 0.00 H new ATOM 0 HG22 THR A 50 -3.488 -5.719 10.885 1.00 0.00 H new ATOM 0 HG23 THR A 50 -3.752 -6.240 9.204 1.00 0.00 H new ATOM 747 N GLU A 51 -0.756 -9.877 9.539 1.00 0.00 N ATOM 748 CA GLU A 51 -0.281 -11.255 9.543 1.00 0.00 C ATOM 749 C GLU A 51 1.240 -11.306 9.655 1.00 0.00 C ATOM 750 O GLU A 51 1.804 -12.270 10.173 1.00 0.00 O ATOM 751 CB GLU A 51 -0.734 -11.977 8.272 1.00 0.00 C ATOM 752 CG GLU A 51 -2.244 -12.047 8.117 1.00 0.00 C ATOM 753 CD GLU A 51 -2.696 -13.281 7.362 1.00 0.00 C ATOM 754 OE1 GLU A 51 -2.117 -14.363 7.593 1.00 0.00 O ATOM 755 OE2 GLU A 51 -3.629 -13.166 6.540 1.00 0.00 O ATOM 0 H GLU A 51 -0.453 -9.329 8.734 1.00 0.00 H new ATOM 0 HA GLU A 51 -0.709 -11.758 10.410 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -0.311 -11.469 7.405 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -0.330 -12.989 8.276 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -2.707 -12.039 9.104 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -2.593 -11.157 7.594 1.00 0.00 H new ATOM 762 N CYS A 52 1.899 -10.262 9.164 1.00 0.00 N ATOM 763 CA CYS A 52 3.354 -10.186 9.207 1.00 0.00 C ATOM 764 C CYS A 52 3.822 -9.402 10.430 1.00 0.00 C ATOM 765 O CYS A 52 3.017 -9.015 11.278 1.00 0.00 O ATOM 766 CB CYS A 52 3.890 -9.531 7.932 1.00 0.00 C ATOM 767 SG CYS A 52 3.813 -10.600 6.459 1.00 0.00 S ATOM 0 H CYS A 52 1.448 -9.456 8.731 1.00 0.00 H new ATOM 0 HA CYS A 52 3.744 -11.202 9.277 1.00 0.00 H new ATOM 0 HB2 CYS A 52 3.323 -8.621 7.738 1.00 0.00 H new ATOM 0 HB3 CYS A 52 4.925 -9.232 8.097 1.00 0.00 H new ATOM 0 HG CYS A 52 2.639 -11.154 6.386 1.00 0.00 H new ATOM 772 N ILE A 53 5.128 -9.170 10.513 1.00 0.00 N ATOM 773 CA ILE A 53 5.703 -8.432 11.631 1.00 0.00 C ATOM 774 C ILE A 53 6.299 -7.107 11.166 1.00 0.00 C ATOM 775 O ILE A 53 7.086 -7.069 10.221 1.00 0.00 O ATOM 776 CB ILE A 53 6.794 -9.250 12.345 1.00 0.00 C ATOM 777 CG1 ILE A 53 6.245 -10.616 12.763 1.00 0.00 C ATOM 778 CG2 ILE A 53 7.319 -8.491 13.555 1.00 0.00 C ATOM 779 CD1 ILE A 53 5.135 -10.534 13.787 1.00 0.00 C ATOM 0 H ILE A 53 5.808 -9.482 9.820 1.00 0.00 H new ATOM 0 HA ILE A 53 4.891 -8.237 12.331 1.00 0.00 H new ATOM 0 HB ILE A 53 7.621 -9.408 11.653 1.00 0.00 H new ATOM 0 HG12 ILE A 53 5.875 -11.136 11.879 1.00 0.00 H new ATOM 0 HG13 ILE A 53 7.059 -11.217 13.169 1.00 0.00 H new ATOM 0 HG21 ILE A 53 8.090 -9.082 14.049 1.00 0.00 H new ATOM 0 HG22 ILE A 53 7.743 -7.540 13.232 1.00 0.00 H new ATOM 0 HG23 ILE A 53 6.501 -8.306 14.251 1.00 0.00 H new ATOM 0 HD11 ILE A 53 4.795 -11.539 14.036 1.00 0.00 H new ATOM 0 HD12 ILE A 53 5.506 -10.043 14.687 1.00 0.00 H new ATOM 0 HD13 ILE A 53 4.303 -9.961 13.377 1.00 0.00 H new ATOM 791 N GLU A 54 5.920 -6.025 11.838 1.00 0.00 N ATOM 792 CA GLU A 54 6.419 -4.699 11.493 1.00 0.00 C ATOM 793 C GLU A 54 6.370 -4.474 9.985 1.00 0.00 C ATOM 794 O GLU A 54 7.299 -3.919 9.398 1.00 0.00 O ATOM 795 CB GLU A 54 7.851 -4.521 12.000 1.00 0.00 C ATOM 796 CG GLU A 54 8.844 -5.483 11.369 1.00 0.00 C ATOM 797 CD GLU A 54 10.284 -5.126 11.685 1.00 0.00 C ATOM 798 OE1 GLU A 54 10.554 -4.714 12.833 1.00 0.00 O ATOM 799 OE2 GLU A 54 11.139 -5.257 10.786 1.00 0.00 O ATOM 0 H GLU A 54 5.270 -6.040 12.624 1.00 0.00 H new ATOM 0 HA GLU A 54 5.777 -3.961 11.974 1.00 0.00 H new ATOM 0 HB2 GLU A 54 8.173 -3.498 11.803 1.00 0.00 H new ATOM 0 HB3 GLU A 54 7.864 -4.656 13.082 1.00 0.00 H new ATOM 0 HG2 GLU A 54 8.639 -6.494 11.721 1.00 0.00 H new ATOM 0 HG3 GLU A 54 8.703 -5.487 10.288 1.00 0.00 H new ATOM 806 N TYR A 55 5.280 -4.910 9.363 1.00 0.00 N ATOM 807 CA TYR A 55 5.111 -4.760 7.922 1.00 0.00 C ATOM 808 C TYR A 55 4.111 -3.653 7.604 1.00 0.00 C ATOM 809 O TYR A 55 2.986 -3.652 8.106 1.00 0.00 O ATOM 810 CB TYR A 55 4.643 -6.078 7.303 1.00 0.00 C ATOM 811 CG TYR A 55 5.105 -6.274 5.876 1.00 0.00 C ATOM 812 CD1 TYR A 55 4.343 -5.818 4.809 1.00 0.00 C ATOM 813 CD2 TYR A 55 6.306 -6.916 5.597 1.00 0.00 C ATOM 814 CE1 TYR A 55 4.761 -5.996 3.504 1.00 0.00 C ATOM 815 CE2 TYR A 55 6.733 -7.097 4.296 1.00 0.00 C ATOM 816 CZ TYR A 55 5.957 -6.636 3.253 1.00 0.00 C ATOM 817 OH TYR A 55 6.378 -6.814 1.955 1.00 0.00 O ATOM 0 H TYR A 55 4.501 -5.370 9.834 1.00 0.00 H new ATOM 0 HA TYR A 55 6.076 -4.488 7.494 1.00 0.00 H new ATOM 0 HB2 TYR A 55 5.008 -6.905 7.911 1.00 0.00 H new ATOM 0 HB3 TYR A 55 3.554 -6.117 7.332 1.00 0.00 H new ATOM 0 HD1 TYR A 55 3.407 -5.315 5.002 1.00 0.00 H new ATOM 0 HD2 TYR A 55 6.915 -7.279 6.411 1.00 0.00 H new ATOM 0 HE1 TYR A 55 4.155 -5.636 2.686 1.00 0.00 H new ATOM 0 HE2 TYR A 55 7.669 -7.597 4.096 1.00 0.00 H new ATOM 0 HH TYR A 55 7.240 -7.281 1.952 1.00 0.00 H new ATOM 827 N HIS A 56 4.529 -2.710 6.765 1.00 0.00 N ATOM 828 CA HIS A 56 3.671 -1.596 6.378 1.00 0.00 C ATOM 829 C HIS A 56 3.868 -1.245 4.906 1.00 0.00 C ATOM 830 O HIS A 56 4.999 -1.149 4.426 1.00 0.00 O ATOM 831 CB HIS A 56 3.961 -0.374 7.249 1.00 0.00 C ATOM 832 CG HIS A 56 4.199 -0.708 8.690 1.00 0.00 C ATOM 833 ND1 HIS A 56 5.354 -1.312 9.141 1.00 0.00 N ATOM 834 CD2 HIS A 56 3.424 -0.518 9.783 1.00 0.00 C ATOM 835 CE1 HIS A 56 5.278 -1.481 10.449 1.00 0.00 C ATOM 836 NE2 HIS A 56 4.116 -1.006 10.863 1.00 0.00 N ATOM 0 H HIS A 56 5.456 -2.695 6.340 1.00 0.00 H new ATOM 0 HA HIS A 56 2.635 -1.900 6.526 1.00 0.00 H new ATOM 0 HB2 HIS A 56 4.836 0.143 6.855 1.00 0.00 H new ATOM 0 HB3 HIS A 56 3.123 0.319 7.179 1.00 0.00 H new ATOM 0 HD1 HIS A 56 6.144 -1.585 8.556 1.00 0.00 H new ATOM 0 HD2 HIS A 56 2.443 -0.066 9.802 1.00 0.00 H new ATOM 0 HE1 HIS A 56 6.036 -1.931 11.073 1.00 0.00 H new ATOM 844 N LEU A 57 2.763 -1.054 4.195 1.00 0.00 N ATOM 845 CA LEU A 57 2.814 -0.714 2.777 1.00 0.00 C ATOM 846 C LEU A 57 2.238 0.676 2.530 1.00 0.00 C ATOM 847 O LEU A 57 1.683 1.300 3.435 1.00 0.00 O ATOM 848 CB LEU A 57 2.045 -1.751 1.956 1.00 0.00 C ATOM 849 CG LEU A 57 2.792 -3.048 1.645 1.00 0.00 C ATOM 850 CD1 LEU A 57 1.917 -3.985 0.826 1.00 0.00 C ATOM 851 CD2 LEU A 57 4.092 -2.753 0.911 1.00 0.00 C ATOM 0 H LEU A 57 1.820 -1.129 4.577 1.00 0.00 H new ATOM 0 HA LEU A 57 3.858 -0.715 2.465 1.00 0.00 H new ATOM 0 HB2 LEU A 57 1.129 -2.002 2.491 1.00 0.00 H new ATOM 0 HB3 LEU A 57 1.748 -1.291 1.013 1.00 0.00 H new ATOM 0 HG LEU A 57 3.034 -3.540 2.587 1.00 0.00 H new ATOM 0 HD11 LEU A 57 2.465 -4.903 0.614 1.00 0.00 H new ATOM 0 HD12 LEU A 57 1.014 -4.223 1.388 1.00 0.00 H new ATOM 0 HD13 LEU A 57 1.644 -3.501 -0.112 1.00 0.00 H new ATOM 0 HD21 LEU A 57 4.610 -3.688 0.698 1.00 0.00 H new ATOM 0 HD22 LEU A 57 3.873 -2.238 -0.025 1.00 0.00 H new ATOM 0 HD23 LEU A 57 4.726 -2.121 1.533 1.00 0.00 H new ATOM 863 N CYS A 58 2.372 1.156 1.298 1.00 0.00 N ATOM 864 CA CYS A 58 1.863 2.471 0.929 1.00 0.00 C ATOM 865 C CYS A 58 0.766 2.355 -0.124 1.00 0.00 C ATOM 866 O CYS A 58 0.792 1.456 -0.964 1.00 0.00 O ATOM 867 CB CYS A 58 2.999 3.351 0.403 1.00 0.00 C ATOM 868 SG CYS A 58 3.834 2.684 -1.073 1.00 0.00 S ATOM 0 H CYS A 58 2.829 0.653 0.538 1.00 0.00 H new ATOM 0 HA CYS A 58 1.438 2.931 1.821 1.00 0.00 H new ATOM 0 HB2 CYS A 58 2.600 4.338 0.167 1.00 0.00 H new ATOM 0 HB3 CYS A 58 3.736 3.486 1.195 1.00 0.00 H new ATOM 0 HG CYS A 58 5.121 2.710 -0.892 1.00 0.00 H new ATOM 873 N GLN A 59 -0.196 3.271 -0.072 1.00 0.00 N ATOM 874 CA GLN A 59 -1.303 3.270 -1.022 1.00 0.00 C ATOM 875 C GLN A 59 -0.837 2.817 -2.401 1.00 0.00 C ATOM 876 O GLN A 59 -1.570 2.143 -3.123 1.00 0.00 O ATOM 877 CB GLN A 59 -1.924 4.665 -1.113 1.00 0.00 C ATOM 878 CG GLN A 59 -2.804 4.859 -2.338 1.00 0.00 C ATOM 879 CD GLN A 59 -4.129 4.132 -2.226 1.00 0.00 C ATOM 880 OE1 GLN A 59 -5.117 4.686 -1.743 1.00 0.00 O ATOM 881 NE2 GLN A 59 -4.158 2.881 -2.673 1.00 0.00 N ATOM 0 H GLN A 59 -0.231 4.022 0.617 1.00 0.00 H new ATOM 0 HA GLN A 59 -2.055 2.567 -0.665 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -2.517 4.849 -0.217 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -1.127 5.409 -1.127 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -2.989 5.923 -2.483 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -2.273 4.505 -3.222 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -3.316 2.460 -3.066 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -5.022 2.342 -2.623 1.00 0.00 H new ATOM 890 N GLU A 60 0.387 3.191 -2.759 1.00 0.00 N ATOM 891 CA GLU A 60 0.950 2.823 -4.053 1.00 0.00 C ATOM 892 C GLU A 60 1.138 1.312 -4.155 1.00 0.00 C ATOM 893 O GLU A 60 0.518 0.653 -4.989 1.00 0.00 O ATOM 894 CB GLU A 60 2.289 3.531 -4.272 1.00 0.00 C ATOM 895 CG GLU A 60 2.586 3.834 -5.731 1.00 0.00 C ATOM 896 CD GLU A 60 3.771 4.765 -5.904 1.00 0.00 C ATOM 897 OE1 GLU A 60 3.723 5.890 -5.365 1.00 0.00 O ATOM 898 OE2 GLU A 60 4.744 4.368 -6.578 1.00 0.00 O ATOM 0 H GLU A 60 1.008 3.748 -2.172 1.00 0.00 H new ATOM 0 HA GLU A 60 0.250 3.138 -4.827 1.00 0.00 H new ATOM 0 HB2 GLU A 60 2.294 4.464 -3.708 1.00 0.00 H new ATOM 0 HB3 GLU A 60 3.089 2.910 -3.868 1.00 0.00 H new ATOM 0 HG2 GLU A 60 2.782 2.901 -6.259 1.00 0.00 H new ATOM 0 HG3 GLU A 60 1.706 4.283 -6.192 1.00 0.00 H new ATOM 905 N CYS A 61 1.999 0.771 -3.300 1.00 0.00 N ATOM 906 CA CYS A 61 2.272 -0.662 -3.292 1.00 0.00 C ATOM 907 C CYS A 61 0.985 -1.459 -3.101 1.00 0.00 C ATOM 908 O CYS A 61 0.878 -2.603 -3.544 1.00 0.00 O ATOM 909 CB CYS A 61 3.268 -1.007 -2.184 1.00 0.00 C ATOM 910 SG CYS A 61 5.004 -0.651 -2.607 1.00 0.00 S ATOM 0 H CYS A 61 2.520 1.303 -2.603 1.00 0.00 H new ATOM 0 HA CYS A 61 2.705 -0.930 -4.256 1.00 0.00 H new ATOM 0 HB2 CYS A 61 3.003 -0.450 -1.285 1.00 0.00 H new ATOM 0 HB3 CYS A 61 3.174 -2.066 -1.942 1.00 0.00 H new ATOM 0 HG CYS A 61 5.650 -0.306 -1.533 1.00 0.00 H new ATOM 915 N PHE A 62 0.009 -0.847 -2.438 1.00 0.00 N ATOM 916 CA PHE A 62 -1.271 -1.499 -2.187 1.00 0.00 C ATOM 917 C PHE A 62 -2.073 -1.639 -3.478 1.00 0.00 C ATOM 918 O PHE A 62 -2.954 -2.492 -3.585 1.00 0.00 O ATOM 919 CB PHE A 62 -2.078 -0.706 -1.157 1.00 0.00 C ATOM 920 CG PHE A 62 -3.190 -1.497 -0.529 1.00 0.00 C ATOM 921 CD1 PHE A 62 -2.931 -2.379 0.508 1.00 0.00 C ATOM 922 CD2 PHE A 62 -4.494 -1.359 -0.976 1.00 0.00 C ATOM 923 CE1 PHE A 62 -3.952 -3.108 1.088 1.00 0.00 C ATOM 924 CE2 PHE A 62 -5.519 -2.085 -0.400 1.00 0.00 C ATOM 925 CZ PHE A 62 -5.248 -2.962 0.633 1.00 0.00 C ATOM 0 H PHE A 62 0.080 0.100 -2.065 1.00 0.00 H new ATOM 0 HA PHE A 62 -1.071 -2.496 -1.794 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -1.406 -0.354 -0.374 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -2.498 0.177 -1.638 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -1.919 -2.498 0.867 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -4.712 -0.676 -1.784 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -3.737 -3.791 1.896 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -6.531 -1.967 -0.757 1.00 0.00 H new ATOM 0 HZ PHE A 62 -6.047 -3.532 1.083 1.00 0.00 H new ATOM 935 N ASP A 63 -1.760 -0.796 -4.456 1.00 0.00 N ATOM 936 CA ASP A 63 -2.450 -0.825 -5.741 1.00 0.00 C ATOM 937 C ASP A 63 -2.063 -2.068 -6.537 1.00 0.00 C ATOM 938 O ASP A 63 -2.794 -2.497 -7.430 1.00 0.00 O ATOM 939 CB ASP A 63 -2.125 0.434 -6.546 1.00 0.00 C ATOM 940 CG ASP A 63 -2.706 0.390 -7.946 1.00 0.00 C ATOM 941 OD1 ASP A 63 -3.943 0.268 -8.073 1.00 0.00 O ATOM 942 OD2 ASP A 63 -1.924 0.480 -8.915 1.00 0.00 O ATOM 0 H ASP A 63 -1.033 -0.084 -4.384 1.00 0.00 H new ATOM 0 HA ASP A 63 -3.523 -0.858 -5.550 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -2.513 1.307 -6.022 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -1.043 0.553 -6.608 1.00 0.00 H new ATOM 947 N SER A 64 -0.909 -2.640 -6.208 1.00 0.00 N ATOM 948 CA SER A 64 -0.423 -3.830 -6.896 1.00 0.00 C ATOM 949 C SER A 64 -1.146 -5.078 -6.399 1.00 0.00 C ATOM 950 O SER A 64 -1.162 -6.109 -7.072 1.00 0.00 O ATOM 951 CB SER A 64 1.085 -3.984 -6.688 1.00 0.00 C ATOM 952 OG SER A 64 1.663 -4.772 -7.715 1.00 0.00 O ATOM 0 H SER A 64 -0.294 -2.299 -5.470 1.00 0.00 H new ATOM 0 HA SER A 64 -0.626 -3.713 -7.960 1.00 0.00 H new ATOM 0 HB2 SER A 64 1.555 -3.001 -6.671 1.00 0.00 H new ATOM 0 HB3 SER A 64 1.277 -4.446 -5.719 1.00 0.00 H new ATOM 0 HG SER A 64 2.627 -4.854 -7.561 1.00 0.00 H new ATOM 958 N TYR A 65 -1.744 -4.976 -5.217 1.00 0.00 N ATOM 959 CA TYR A 65 -2.468 -6.097 -4.628 1.00 0.00 C ATOM 960 C TYR A 65 -1.582 -7.336 -4.549 1.00 0.00 C ATOM 961 O TYR A 65 -2.057 -8.463 -4.697 1.00 0.00 O ATOM 962 CB TYR A 65 -3.724 -6.405 -5.444 1.00 0.00 C ATOM 963 CG TYR A 65 -4.869 -5.455 -5.175 1.00 0.00 C ATOM 964 CD1 TYR A 65 -4.761 -4.103 -5.476 1.00 0.00 C ATOM 965 CD2 TYR A 65 -6.059 -5.909 -4.619 1.00 0.00 C ATOM 966 CE1 TYR A 65 -5.804 -3.231 -5.232 1.00 0.00 C ATOM 967 CE2 TYR A 65 -7.108 -5.045 -4.373 1.00 0.00 C ATOM 968 CZ TYR A 65 -6.976 -3.707 -4.680 1.00 0.00 C ATOM 969 OH TYR A 65 -8.018 -2.842 -4.435 1.00 0.00 O ATOM 0 H TYR A 65 -1.742 -4.129 -4.648 1.00 0.00 H new ATOM 0 HA TYR A 65 -2.760 -5.817 -3.616 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -3.476 -6.370 -6.505 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -4.048 -7.423 -5.226 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -3.845 -3.727 -5.908 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -6.165 -6.956 -4.375 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -5.703 -2.183 -5.472 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -8.027 -5.415 -3.943 1.00 0.00 H new ATOM 0 HH TYR A 65 -8.769 -3.337 -4.046 1.00 0.00 H new ATOM 979 N CYS A 66 -0.293 -7.120 -4.314 1.00 0.00 N ATOM 980 CA CYS A 66 0.662 -8.218 -4.215 1.00 0.00 C ATOM 981 C CYS A 66 0.639 -8.834 -2.819 1.00 0.00 C ATOM 982 O CYS A 66 0.557 -10.054 -2.669 1.00 0.00 O ATOM 983 CB CYS A 66 2.072 -7.728 -4.546 1.00 0.00 C ATOM 984 SG CYS A 66 3.337 -9.018 -4.477 1.00 0.00 S ATOM 0 H CYS A 66 0.115 -6.194 -4.188 1.00 0.00 H new ATOM 0 HA CYS A 66 0.374 -8.983 -4.936 1.00 0.00 H new ATOM 0 HB2 CYS A 66 2.068 -7.291 -5.545 1.00 0.00 H new ATOM 0 HB3 CYS A 66 2.341 -6.933 -3.851 1.00 0.00 H new ATOM 0 HG CYS A 66 4.495 -8.507 -4.774 1.00 0.00 H new ATOM 990 N HIS A 67 0.713 -7.983 -1.801 1.00 0.00 N ATOM 991 CA HIS A 67 0.702 -8.444 -0.417 1.00 0.00 C ATOM 992 C HIS A 67 -0.728 -8.624 0.084 1.00 0.00 C ATOM 993 O HIS A 67 -0.956 -9.201 1.148 1.00 0.00 O ATOM 994 CB HIS A 67 1.448 -7.454 0.478 1.00 0.00 C ATOM 995 CG HIS A 67 2.105 -8.094 1.662 1.00 0.00 C ATOM 996 ND1 HIS A 67 1.602 -8.905 2.622 1.00 0.00 N flip ATOM 997 CD2 HIS A 67 3.439 -7.926 1.964 1.00 0.00 C flip ATOM 998 CE1 HIS A 67 2.632 -9.210 3.477 1.00 0.00 C flip ATOM 999 NE2 HIS A 67 3.730 -8.608 3.058 1.00 0.00 N flip ATOM 0 H HIS A 67 0.781 -6.971 -1.908 1.00 0.00 H new ATOM 0 HA HIS A 67 1.206 -9.409 -0.377 1.00 0.00 H new ATOM 0 HB2 HIS A 67 2.206 -6.941 -0.114 1.00 0.00 H new ATOM 0 HB3 HIS A 67 0.749 -6.695 0.827 1.00 0.00 H new ATOM 0 HD1 HIS A 67 0.638 -9.229 2.696 1.00 0.00 H new ATOM 0 HD2 HIS A 67 4.138 -7.330 1.395 1.00 0.00 H new ATOM 0 HE1 HIS A 67 2.556 -9.840 4.351 1.00 0.00 H new ATOM 0 HE2 HIS A 67 4.646 -8.660 3.503 1.00 0.00 H new ATOM 1007 N LEU A 68 -1.687 -8.127 -0.688 1.00 0.00 N ATOM 1008 CA LEU A 68 -3.095 -8.232 -0.323 1.00 0.00 C ATOM 1009 C LEU A 68 -3.412 -9.617 0.233 1.00 0.00 C ATOM 1010 O LEU A 68 -4.383 -9.795 0.969 1.00 0.00 O ATOM 1011 CB LEU A 68 -3.981 -7.943 -1.536 1.00 0.00 C ATOM 1012 CG LEU A 68 -4.380 -6.481 -1.743 1.00 0.00 C ATOM 1013 CD1 LEU A 68 -5.692 -6.181 -1.036 1.00 0.00 C ATOM 1014 CD2 LEU A 68 -3.280 -5.553 -1.247 1.00 0.00 C ATOM 0 H LEU A 68 -1.515 -7.647 -1.571 1.00 0.00 H new ATOM 0 HA LEU A 68 -3.299 -7.493 0.452 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -3.462 -8.287 -2.430 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -4.890 -8.538 -1.447 1.00 0.00 H new ATOM 0 HG LEU A 68 -4.519 -6.309 -2.810 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -5.960 -5.136 -1.194 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -6.477 -6.822 -1.438 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -5.581 -6.369 0.032 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -3.581 -4.517 -1.402 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -3.109 -5.726 -0.184 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -2.361 -5.751 -1.799 1.00 0.00 H new ATOM 1026 N SER A 69 -2.584 -10.594 -0.122 1.00 0.00 N ATOM 1027 CA SER A 69 -2.776 -11.964 0.340 1.00 0.00 C ATOM 1028 C SER A 69 -2.977 -12.004 1.852 1.00 0.00 C ATOM 1029 O SER A 69 -3.521 -12.968 2.392 1.00 0.00 O ATOM 1030 CB SER A 69 -1.576 -12.829 -0.049 1.00 0.00 C ATOM 1031 OG SER A 69 -1.323 -13.822 0.930 1.00 0.00 O ATOM 0 H SER A 69 -1.774 -10.463 -0.728 1.00 0.00 H new ATOM 0 HA SER A 69 -3.671 -12.361 -0.139 1.00 0.00 H new ATOM 0 HB2 SER A 69 -1.763 -13.303 -1.012 1.00 0.00 H new ATOM 0 HB3 SER A 69 -0.694 -12.200 -0.169 1.00 0.00 H new ATOM 0 HG SER A 69 -0.552 -14.362 0.657 1.00 0.00 H new ATOM 1037 N HIS A 70 -2.533 -10.950 2.530 1.00 0.00 N ATOM 1038 CA HIS A 70 -2.664 -10.864 3.980 1.00 0.00 C ATOM 1039 C HIS A 70 -3.580 -9.709 4.375 1.00 0.00 C ATOM 1040 O HIS A 70 -3.653 -8.695 3.681 1.00 0.00 O ATOM 1041 CB HIS A 70 -1.290 -10.684 4.627 1.00 0.00 C ATOM 1042 CG HIS A 70 -0.428 -11.907 4.552 1.00 0.00 C ATOM 1043 ND1 HIS A 70 0.872 -11.940 5.010 1.00 0.00 N ATOM 1044 CD2 HIS A 70 -0.688 -13.145 4.070 1.00 0.00 C ATOM 1045 CE1 HIS A 70 1.375 -13.145 4.811 1.00 0.00 C ATOM 1046 NE2 HIS A 70 0.449 -13.895 4.242 1.00 0.00 N ATOM 0 H HIS A 70 -2.080 -10.144 2.099 1.00 0.00 H new ATOM 0 HA HIS A 70 -3.107 -11.794 4.336 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -0.774 -9.856 4.141 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -1.423 -10.407 5.673 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -1.617 -13.480 3.632 1.00 0.00 H new ATOM 0 HE1 HIS A 70 2.374 -13.463 5.070 1.00 0.00 H new ATOM 0 HE2 HIS A 70 0.560 -14.873 3.974 1.00 0.00 H new ATOM 1054 N THR A 71 -4.279 -9.871 5.494 1.00 0.00 N ATOM 1055 CA THR A 71 -5.192 -8.844 5.980 1.00 0.00 C ATOM 1056 C THR A 71 -4.431 -7.610 6.451 1.00 0.00 C ATOM 1057 O THR A 71 -3.795 -7.626 7.505 1.00 0.00 O ATOM 1058 CB THR A 71 -6.063 -9.369 7.137 1.00 0.00 C ATOM 1059 OG1 THR A 71 -6.604 -10.651 6.800 1.00 0.00 O ATOM 1060 CG2 THR A 71 -7.196 -8.400 7.444 1.00 0.00 C ATOM 0 H THR A 71 -4.230 -10.704 6.081 1.00 0.00 H new ATOM 0 HA THR A 71 -5.837 -8.573 5.144 1.00 0.00 H new ATOM 0 HB THR A 71 -5.435 -9.462 8.023 1.00 0.00 H new ATOM 0 HG1 THR A 71 -7.155 -10.979 7.541 1.00 0.00 H new ATOM 0 HG21 THR A 71 -7.798 -8.792 8.264 1.00 0.00 H new ATOM 0 HG22 THR A 71 -6.781 -7.433 7.728 1.00 0.00 H new ATOM 0 HG23 THR A 71 -7.822 -8.280 6.560 1.00 0.00 H new ATOM 1068 N PHE A 72 -4.500 -6.542 5.664 1.00 0.00 N ATOM 1069 CA PHE A 72 -3.817 -5.298 6.001 1.00 0.00 C ATOM 1070 C PHE A 72 -4.760 -4.336 6.717 1.00 0.00 C ATOM 1071 O PHE A 72 -5.932 -4.644 6.935 1.00 0.00 O ATOM 1072 CB PHE A 72 -3.260 -4.639 4.738 1.00 0.00 C ATOM 1073 CG PHE A 72 -1.894 -5.133 4.356 1.00 0.00 C ATOM 1074 CD1 PHE A 72 -1.594 -6.485 4.400 1.00 0.00 C ATOM 1075 CD2 PHE A 72 -0.910 -4.245 3.953 1.00 0.00 C ATOM 1076 CE1 PHE A 72 -0.338 -6.943 4.048 1.00 0.00 C ATOM 1077 CE2 PHE A 72 0.348 -4.697 3.600 1.00 0.00 C ATOM 1078 CZ PHE A 72 0.634 -6.047 3.649 1.00 0.00 C ATOM 0 H PHE A 72 -5.022 -6.513 4.788 1.00 0.00 H new ATOM 0 HA PHE A 72 -2.992 -5.536 6.672 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -3.947 -4.819 3.911 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -3.218 -3.560 4.889 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -2.350 -7.189 4.713 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -1.128 -3.188 3.914 1.00 0.00 H new ATOM 0 HE1 PHE A 72 -0.117 -8.000 4.085 1.00 0.00 H new ATOM 0 HE2 PHE A 72 1.106 -3.995 3.286 1.00 0.00 H new ATOM 0 HZ PHE A 72 1.617 -6.402 3.376 1.00 0.00 H new ATOM 1088 N THR A 73 -4.240 -3.169 7.083 1.00 0.00 N ATOM 1089 CA THR A 73 -5.033 -2.162 7.776 1.00 0.00 C ATOM 1090 C THR A 73 -4.515 -0.758 7.484 1.00 0.00 C ATOM 1091 O THR A 73 -3.323 -0.483 7.623 1.00 0.00 O ATOM 1092 CB THR A 73 -5.028 -2.392 9.299 1.00 0.00 C ATOM 1093 OG1 THR A 73 -3.702 -2.706 9.742 1.00 0.00 O ATOM 1094 CG2 THR A 73 -5.975 -3.520 9.678 1.00 0.00 C ATOM 0 H THR A 73 -3.272 -2.898 6.911 1.00 0.00 H new ATOM 0 HA THR A 73 -6.054 -2.255 7.406 1.00 0.00 H new ATOM 0 HB THR A 73 -5.366 -1.476 9.785 1.00 0.00 H new ATOM 0 HG1 THR A 73 -3.706 -2.849 10.711 1.00 0.00 H new ATOM 0 HG21 THR A 73 -5.955 -3.664 10.758 1.00 0.00 H new ATOM 0 HG22 THR A 73 -6.988 -3.266 9.365 1.00 0.00 H new ATOM 0 HG23 THR A 73 -5.662 -4.439 9.183 1.00 0.00 H new ATOM 1102 N PHE A 74 -5.419 0.129 7.081 1.00 0.00 N ATOM 1103 CA PHE A 74 -5.053 1.506 6.770 1.00 0.00 C ATOM 1104 C PHE A 74 -5.494 2.451 7.884 1.00 0.00 C ATOM 1105 O PHE A 74 -6.398 2.137 8.658 1.00 0.00 O ATOM 1106 CB PHE A 74 -5.682 1.936 5.443 1.00 0.00 C ATOM 1107 CG PHE A 74 -7.163 2.174 5.530 1.00 0.00 C ATOM 1108 CD1 PHE A 74 -8.054 1.116 5.449 1.00 0.00 C ATOM 1109 CD2 PHE A 74 -7.663 3.456 5.693 1.00 0.00 C ATOM 1110 CE1 PHE A 74 -9.417 1.332 5.530 1.00 0.00 C ATOM 1111 CE2 PHE A 74 -9.025 3.677 5.775 1.00 0.00 C ATOM 1112 CZ PHE A 74 -9.903 2.614 5.692 1.00 0.00 C ATOM 0 H PHE A 74 -6.410 -0.081 6.962 1.00 0.00 H new ATOM 0 HA PHE A 74 -3.968 1.556 6.683 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -5.195 2.848 5.098 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -5.489 1.169 4.693 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -7.679 0.111 5.321 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -6.981 4.291 5.757 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -10.101 0.499 5.467 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -9.403 4.681 5.904 1.00 0.00 H new ATOM 0 HZ PHE A 74 -10.968 2.785 5.754 1.00 0.00 H new ATOM 1122 N ARG A 75 -4.847 3.610 7.959 1.00 0.00 N ATOM 1123 CA ARG A 75 -5.170 4.600 8.978 1.00 0.00 C ATOM 1124 C ARG A 75 -6.033 5.717 8.398 1.00 0.00 C ATOM 1125 O ARG A 75 -6.247 5.783 7.188 1.00 0.00 O ATOM 1126 CB ARG A 75 -3.889 5.188 9.573 1.00 0.00 C ATOM 1127 CG ARG A 75 -3.327 4.378 10.730 1.00 0.00 C ATOM 1128 CD ARG A 75 -3.927 4.812 12.058 1.00 0.00 C ATOM 1129 NE ARG A 75 -3.233 5.967 12.620 1.00 0.00 N ATOM 1130 CZ ARG A 75 -3.228 6.262 13.916 1.00 0.00 C ATOM 1131 NH1 ARG A 75 -3.875 5.490 14.777 1.00 0.00 N ATOM 1132 NH2 ARG A 75 -2.573 7.330 14.351 1.00 0.00 N ATOM 0 H ARG A 75 -4.096 3.886 7.326 1.00 0.00 H new ATOM 0 HA ARG A 75 -5.733 4.101 9.767 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -3.134 5.259 8.790 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -4.090 6.203 9.915 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -3.530 3.320 10.567 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -2.244 4.494 10.764 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -4.980 5.055 11.918 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -3.882 3.983 12.764 1.00 0.00 H new ATOM 0 HE ARG A 75 -2.724 6.581 11.984 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -4.378 4.667 14.446 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -3.870 5.719 15.771 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -2.073 7.925 13.691 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -2.569 7.556 15.346 1.00 0.00 H new ATOM 1146 N GLU A 76 -6.526 6.591 9.270 1.00 0.00 N ATOM 1147 CA GLU A 76 -7.366 7.704 8.843 1.00 0.00 C ATOM 1148 C GLU A 76 -6.808 9.032 9.346 1.00 0.00 C ATOM 1149 O GLU A 76 -5.930 9.063 10.208 1.00 0.00 O ATOM 1150 CB GLU A 76 -8.797 7.515 9.350 1.00 0.00 C ATOM 1151 CG GLU A 76 -9.667 6.682 8.423 1.00 0.00 C ATOM 1152 CD GLU A 76 -11.113 6.623 8.876 1.00 0.00 C ATOM 1153 OE1 GLU A 76 -11.347 6.460 10.091 1.00 0.00 O ATOM 1154 OE2 GLU A 76 -12.010 6.740 8.015 1.00 0.00 O ATOM 0 H GLU A 76 -6.358 6.550 10.275 1.00 0.00 H new ATOM 0 HA GLU A 76 -7.373 7.723 7.753 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -8.766 7.039 10.330 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -9.258 8.494 9.485 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -9.622 7.099 7.417 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -9.266 5.670 8.367 1.00 0.00 H new ATOM 1161 N LYS A 77 -7.324 10.128 8.801 1.00 0.00 N ATOM 1162 CA LYS A 77 -6.879 11.460 9.193 1.00 0.00 C ATOM 1163 C LYS A 77 -6.870 11.606 10.712 1.00 0.00 C ATOM 1164 O LYS A 77 -7.483 10.810 11.424 1.00 0.00 O ATOM 1165 CB LYS A 77 -7.786 12.526 8.574 1.00 0.00 C ATOM 1166 CG LYS A 77 -9.187 12.548 9.159 1.00 0.00 C ATOM 1167 CD LYS A 77 -9.769 13.952 9.160 1.00 0.00 C ATOM 1168 CE LYS A 77 -10.594 14.214 7.910 1.00 0.00 C ATOM 1169 NZ LYS A 77 -11.891 13.483 7.938 1.00 0.00 N ATOM 0 H LYS A 77 -8.051 10.120 8.086 1.00 0.00 H new ATOM 0 HA LYS A 77 -5.862 11.598 8.826 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -7.328 13.505 8.713 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -7.853 12.355 7.500 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -9.833 11.886 8.583 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -9.163 12.162 10.178 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -10.392 14.088 10.044 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -8.962 14.682 9.224 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -10.782 15.284 7.817 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -10.026 13.912 7.030 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -12.531 13.885 7.224 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -11.727 12.477 7.730 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -12.321 13.576 8.880 1.00 0.00 H new ATOM 1183 N ARG A 78 -6.174 12.627 11.200 1.00 0.00 N ATOM 1184 CA ARG A 78 -6.086 12.876 12.634 1.00 0.00 C ATOM 1185 C ARG A 78 -7.411 12.563 13.322 1.00 0.00 C ATOM 1186 O ARG A 78 -8.468 12.582 12.693 1.00 0.00 O ATOM 1187 CB ARG A 78 -5.694 14.331 12.897 1.00 0.00 C ATOM 1188 CG ARG A 78 -4.193 14.551 12.986 1.00 0.00 C ATOM 1189 CD ARG A 78 -3.695 14.420 14.417 1.00 0.00 C ATOM 1190 NE ARG A 78 -4.535 15.156 15.358 1.00 0.00 N ATOM 1191 CZ ARG A 78 -4.642 14.846 16.645 1.00 0.00 C ATOM 1192 NH1 ARG A 78 -3.965 13.820 17.142 1.00 0.00 N ATOM 1193 NH2 ARG A 78 -5.428 15.563 17.439 1.00 0.00 N ATOM 0 H ARG A 78 -5.663 13.295 10.624 1.00 0.00 H new ATOM 0 HA ARG A 78 -5.319 12.220 13.045 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -6.098 14.957 12.101 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -6.157 14.661 13.827 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -3.680 13.827 12.353 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -3.946 15.541 12.603 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -3.672 13.367 14.698 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -2.671 14.789 14.480 1.00 0.00 H new ATOM 0 HE ARG A 78 -5.069 15.952 15.008 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -3.360 13.266 16.536 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -4.049 13.584 18.131 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -5.951 16.353 17.061 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -5.509 15.324 18.427 1.00 0.00 H new ATOM 1207 N ASN A 79 -7.346 12.274 14.618 1.00 0.00 N ATOM 1208 CA ASN A 79 -8.540 11.955 15.391 1.00 0.00 C ATOM 1209 C ASN A 79 -9.212 10.692 14.860 1.00 0.00 C ATOM 1210 O ASN A 79 -10.437 10.582 14.863 1.00 0.00 O ATOM 1211 CB ASN A 79 -9.525 13.125 15.352 1.00 0.00 C ATOM 1212 CG ASN A 79 -9.196 14.192 16.378 1.00 0.00 C ATOM 1213 OD1 ASN A 79 -8.333 14.001 17.234 1.00 0.00 O ATOM 1214 ND2 ASN A 79 -9.885 15.325 16.295 1.00 0.00 N ATOM 0 H ASN A 79 -6.479 12.254 15.154 1.00 0.00 H new ATOM 0 HA ASN A 79 -8.237 11.777 16.423 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -9.519 13.568 14.356 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -10.534 12.753 15.529 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -9.707 16.080 16.958 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -10.592 15.440 15.569 1.00 0.00 H new ATOM 1221 N GLN A 80 -8.400 9.743 14.405 1.00 0.00 N ATOM 1222 CA GLN A 80 -8.916 8.489 13.870 1.00 0.00 C ATOM 1223 C GLN A 80 -7.983 7.330 14.206 1.00 0.00 C ATOM 1224 O GLN A 80 -6.856 7.536 14.657 1.00 0.00 O ATOM 1225 CB GLN A 80 -9.095 8.591 12.355 1.00 0.00 C ATOM 1226 CG GLN A 80 -9.948 9.773 11.922 1.00 0.00 C ATOM 1227 CD GLN A 80 -11.366 9.694 12.451 1.00 0.00 C ATOM 1228 OE1 GLN A 80 -11.753 8.709 13.081 1.00 0.00 O ATOM 1229 NE2 GLN A 80 -12.152 10.735 12.197 1.00 0.00 N ATOM 0 H GLN A 80 -7.383 9.819 14.396 1.00 0.00 H new ATOM 0 HA GLN A 80 -9.885 8.298 14.331 1.00 0.00 H new ATOM 0 HB2 GLN A 80 -8.114 8.670 11.886 1.00 0.00 H new ATOM 0 HB3 GLN A 80 -9.550 7.671 11.988 1.00 0.00 H new ATOM 0 HG2 GLN A 80 -9.485 10.697 12.270 1.00 0.00 H new ATOM 0 HG3 GLN A 80 -9.972 9.819 10.833 1.00 0.00 H new ATOM 0 HE21 GLN A 80 -11.790 11.531 11.671 1.00 0.00 H new ATOM 0 HE22 GLN A 80 -13.117 10.738 12.528 1.00 0.00 H new ATOM 1238 N LYS A 81 -8.460 6.110 13.984 1.00 0.00 N ATOM 1239 CA LYS A 81 -7.670 4.916 14.262 1.00 0.00 C ATOM 1240 C LYS A 81 -7.549 4.042 13.018 1.00 0.00 C ATOM 1241 O LYS A 81 -8.176 4.314 11.994 1.00 0.00 O ATOM 1242 CB LYS A 81 -8.303 4.114 15.402 1.00 0.00 C ATOM 1243 CG LYS A 81 -8.410 4.889 16.704 1.00 0.00 C ATOM 1244 CD LYS A 81 -7.193 4.666 17.586 1.00 0.00 C ATOM 1245 CE LYS A 81 -6.138 5.739 17.362 1.00 0.00 C ATOM 1246 NZ LYS A 81 -6.379 6.940 18.209 1.00 0.00 N ATOM 0 H LYS A 81 -9.391 5.922 13.612 1.00 0.00 H new ATOM 0 HA LYS A 81 -6.671 5.233 14.560 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -9.299 3.791 15.098 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -7.713 3.213 15.572 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -8.514 5.952 16.488 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -9.309 4.582 17.238 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -7.496 4.665 18.633 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -6.766 3.685 17.377 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -5.152 5.331 17.583 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -6.134 6.030 16.312 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -5.639 7.647 18.027 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -7.309 7.345 17.980 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -6.358 6.667 19.212 1.00 0.00 H new ATOM 1260 N TRP A 82 -6.740 2.993 13.115 1.00 0.00 N ATOM 1261 CA TRP A 82 -6.538 2.079 11.996 1.00 0.00 C ATOM 1262 C TRP A 82 -7.873 1.601 11.436 1.00 0.00 C ATOM 1263 O TRP A 82 -8.932 1.907 11.984 1.00 0.00 O ATOM 1264 CB TRP A 82 -5.697 0.879 12.437 1.00 0.00 C ATOM 1265 CG TRP A 82 -4.287 1.241 12.791 1.00 0.00 C ATOM 1266 CD1 TRP A 82 -3.814 1.586 14.025 1.00 0.00 C ATOM 1267 CD2 TRP A 82 -3.167 1.295 11.901 1.00 0.00 C ATOM 1268 NE1 TRP A 82 -2.468 1.851 13.956 1.00 0.00 N ATOM 1269 CE2 TRP A 82 -2.046 1.679 12.664 1.00 0.00 C ATOM 1270 CE3 TRP A 82 -3.000 1.055 10.535 1.00 0.00 C ATOM 1271 CZ2 TRP A 82 -0.781 1.829 12.104 1.00 0.00 C ATOM 1272 CZ3 TRP A 82 -1.744 1.204 9.980 1.00 0.00 C ATOM 1273 CH2 TRP A 82 -0.647 1.587 10.763 1.00 0.00 C ATOM 0 H TRP A 82 -6.214 2.754 13.956 1.00 0.00 H new ATOM 0 HA TRP A 82 -6.007 2.617 11.210 1.00 0.00 H new ATOM 0 HB2 TRP A 82 -6.171 0.409 13.299 1.00 0.00 H new ATOM 0 HB3 TRP A 82 -5.685 0.139 11.637 1.00 0.00 H new ATOM 0 HD1 TRP A 82 -4.411 1.642 14.923 1.00 0.00 H new ATOM 0 HE1 TRP A 82 -1.878 2.131 14.740 1.00 0.00 H new ATOM 0 HE3 TRP A 82 -3.839 0.758 9.923 1.00 0.00 H new ATOM 0 HZ2 TRP A 82 0.065 2.126 12.706 1.00 0.00 H new ATOM 0 HZ3 TRP A 82 -1.605 1.022 8.925 1.00 0.00 H new ATOM 0 HH2 TRP A 82 0.323 1.693 10.300 1.00 0.00 H new ATOM 1284 N ARG A 83 -7.816 0.849 10.342 1.00 0.00 N ATOM 1285 CA ARG A 83 -9.021 0.329 9.707 1.00 0.00 C ATOM 1286 C ARG A 83 -8.802 -1.095 9.208 1.00 0.00 C ATOM 1287 O ARG A 83 -7.773 -1.401 8.605 1.00 0.00 O ATOM 1288 CB ARG A 83 -9.440 1.231 8.544 1.00 0.00 C ATOM 1289 CG ARG A 83 -9.562 2.697 8.924 1.00 0.00 C ATOM 1290 CD ARG A 83 -10.976 3.044 9.362 1.00 0.00 C ATOM 1291 NE ARG A 83 -11.197 2.754 10.776 1.00 0.00 N ATOM 1292 CZ ARG A 83 -12.398 2.550 11.305 1.00 0.00 C ATOM 1293 NH1 ARG A 83 -13.481 2.603 10.542 1.00 0.00 N ATOM 1294 NH2 ARG A 83 -12.519 2.292 12.601 1.00 0.00 N ATOM 0 H ARG A 83 -6.947 0.586 9.876 1.00 0.00 H new ATOM 0 HA ARG A 83 -9.817 0.315 10.452 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -8.712 1.133 7.738 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -10.397 0.885 8.153 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -8.864 2.924 9.730 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -9.280 3.319 8.074 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -11.164 4.101 9.175 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -11.690 2.482 8.761 1.00 0.00 H new ATOM 0 HE ARG A 83 -10.385 2.705 11.391 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -13.393 2.801 9.545 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -14.402 2.446 10.952 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -11.689 2.250 13.192 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -13.442 2.136 13.006 1.00 0.00 H new ATOM 1308 N SER A 84 -9.777 -1.963 9.462 1.00 0.00 N ATOM 1309 CA SER A 84 -9.689 -3.357 9.042 1.00 0.00 C ATOM 1310 C SER A 84 -10.133 -3.516 7.591 1.00 0.00 C ATOM 1311 O SER A 84 -11.326 -3.467 7.286 1.00 0.00 O ATOM 1312 CB SER A 84 -10.546 -4.240 9.950 1.00 0.00 C ATOM 1313 OG SER A 84 -11.891 -3.794 9.974 1.00 0.00 O ATOM 0 H SER A 84 -10.637 -1.725 9.957 1.00 0.00 H new ATOM 0 HA SER A 84 -8.648 -3.670 9.121 1.00 0.00 H new ATOM 0 HB2 SER A 84 -10.508 -5.272 9.600 1.00 0.00 H new ATOM 0 HB3 SER A 84 -10.139 -4.231 10.961 1.00 0.00 H new ATOM 0 HG SER A 84 -12.143 -3.468 9.085 1.00 0.00 H new